Nd3DyRu2
Alexandria ALEXAlex-ID: agm003428512 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_914_spg12
Dy4Ru3 Nd7Ru3 Dy2Ru
2022-02-23 01:02:08.166861
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428512).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003428512
data_agm003428512
_cell_length_a 4.32198
_cell_length_b 8.50617
_cell_length_c 10.61119
_cell_angle_alpha 68.89851
_cell_angle_beta 78.24940
_cell_angle_gamma 75.28271
_cell_volume 349.27374
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.05228 0.11855 0.77690 1.00000
Nd2 Nd 0.94772 0.88145 0.22310 1.00000
Nd3 Nd 0.66589 0.69222 0.97600 1.00000
Nd4 Nd 0.33411 0.30778 0.02400 1.00000
Nd5 Nd 0.78691 0.82800 0.59818 1.00000
Nd6 Nd 0.21309 0.17200 0.40182 1.00000
Dy1 Dy 0.42753 0.48114 0.66379 1.00000
Dy2 Dy 0.57247 0.51886 0.33621 1.00000
Ru1 Ru 0.86121 0.44007 0.83751 1.00000
Ru2 Ru 0.13879 0.55993 0.16249 1.00000
Ru3 Ru 0.61614 0.18709 0.58063 1.00000
Ru4 Ru 0.38386 0.81291 0.41937 1.00000
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